3H-Pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-
Basic information
- CAS
13102-34-6- Standard SMILES
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1- InChIKey
FCWUFSJRTXLBTH-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2N2O
- Average molar mass
- 243.09 g/mol
- Monoisotopic mass
- 242.0013683
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-
- IUPAC
- 2-(2,5-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
- English name
- 1-(2',5'-Dichlorophenyl)-3-methyl-5-pyrazolone
- Molecular formula
- C10H8Cl2N2O
- Molecular weight
- 243.09
Names & synonyms
13102-34-63H-Pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-SJE2M8DC7HEINECS 236-022-4DTXSID50653522-(2,5-Dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-oneRefChem:505785DTXCID9034020236-022-42-(2,5-Dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one2-(2,5-dichlorophenyl)-5-methyl-4H-pyrazol-3-one1-(2',5'-Dichlorophenyl)-3-methyl-5-pyrazolone
Show more names
3-hydrazinyl-1H-quinoxaline-2-thione1-(2,5-Dichlorophenyl)-3-methyl-5(4H)-pyrazolone1-(2,5`-Dichlorophenyl)-3-Methyl-5-Pyrazolone(Dcmp)2-(2,5-Dichlorophenyl)-5-Methyl-1H-pyrazol-3(2H)-one2-(2,5-DICHLORO-PHENYL)-5-METHYL-2,4-DIHYDRO-PYRAZOL-3-ONE3H-pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-met
MFCD00043807F1414-0568UNII-SJE2M8DC7HCambridge id 5255950CBDivE_007820SCHEMBL97703281-(2,5-dichlorophenyl)-3-methyl-1H-pyrazol-5(4H)-oneSMSSF-0040861
Database identifiers
- CAS
13102-34-6- PubChem CID
- 83139
- DTXSID
DTXSID5065352- UNII
- SJE2M8DC7H
- EC Number
- 236-022-4
- Nikkaji
- J182.614J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 404.9 · 404.9±35.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 1.7 · 1.70±0.50(Predicted)
- FDA UNII
- 2 M8DC7H · SJE2M8DC7H
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl- (13102-34-6)
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hazard_class
- IRRITANT
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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